SCHEMBL10470271

SCHEMBL10470271

COC(=O)C1Oc2ccccc2Cc2ccc(OC)cc2O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.44
DRD1 P21728 3/20 0.44
DRD5 P21918 3/20 0.44
DRD3 P35462 3/20 0.44
DRD4 P21917 2/20 0.44
MTNR1A P48039 4/20 0.44
MTNR1B P49286 4/20 0.44
GABRA1 P14867 2/20 0.44
GABRB2 P47870 2/20 0.44
CYP19A1 P11511 1/20 0.41
MAOB P27338 1/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HTR2A P28223 1/20 0.40
NPC1 O15118 2/20 0.40
GAA P10253 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9752002 0.93 CA2 (0.41) DRD2DRD1DRD5DRD3DRD4
SCHEMBL10472053 0.88 POLB (0.48) DRD2DRD1DRD5DRD3DRD4
SCHEMBL9752005 0.88 MAOA (0.42) GABRA1GABRB2MAOBMAPTALDH1A1
SCHEMBL10470237 0.86 RAB9A (0.39) GABRA1GABRB2MAOBTSHRSMN1; SMN2
SCHEMBL10472404 0.85 CRHBP (0.39) DRD2DRD1DRD5DRD3DRD4
SCHEMBL10470278 0.85 HTT (0.40) MAOBMAPTALDH1A1TSHRSMN1; SMN2
SCHEMBL10470754 0.85 HDAC4 (0.35) GABRA1GABRB2MAOBALDH1A1TSHR
SCHEMBL10472408 0.81 TRPA1 (0.36) GABRA1GABRB2
SCHEMBL9752008 0.81 KMT2A (0.41) GABRA1GABRB2SMN1; SMN2NPC1GAA
SCHEMBL10471566 0.79 CTNNB1 (0.39) MTNR1AMTNR1BGABRA1GABRB2MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4979978-A Herbicidal 12H-dibenzo[d,g][1,3]dioxocin-6-carboxylic acids THE DOW CHEMICAL COMPANY (US) 1990-12-25 US disclosed